3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionic acid tert-butyl ester → [2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-5-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

HRID 142431

반응식

HRID 142431 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33]([c:34]1[cH:35][c:36](-[c:40]2[n:41][cH:42][cH:43][cH:44][cH:45]2)[cH:37][cH:38][cH:39]1)=[O:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33]([c:34]2[cH:35][c:36](-[c:40]3[n:41][cH:42][cH:43][cH:44][cH:45]3)[cH:37][cH:38][cH:39]2)=[O:46])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25]

참가 물질

3

반응물 2

HCID 694892013-Oxo-3-(3-pyridin-2-yl-phenyl)-propionic acid tert-butyl esterHCID 76849205Carbamic acid,[2-amino-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester

생성물 1

HCID 86589257[2-[3-Oxo-3-(3-pyridin-2-yl-phenyl)-propionylamino]-5-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-6b090f83fa8f4850addaa6c0e11c159f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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